KEGG   DRUG: Terbutaline sulfate
Entry
D00688                      Drug                                   
Name
Terbutaline sulfate (JP18/USP);
Brethine (TN)
Product
  Generic
Formula
(C12H19NO3)2. H2SO4
Exact mass
548.2404
Mol weight
548.6468
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Remark
Therapeutic category: 2252
ATC code: R03AC03 R03CC03
Chemical structure group: DG01046
Product (DG01046): D00688<JP/US>
Efficacy
Bronchodilator, beta2-Adrenergic receptor agonist
  Disease
Asthma [DS:H00079]
Emphysema [DS:H01714]
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AC Selective beta-2-adrenoreceptor agonists
     R03AC03 Terbutaline
      D00688  Terbutaline sulfate (JP18/USP) <JP/US>
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC03 Terbutaline
      D00688  Terbutaline sulfate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Sympathomimetic
   Terbutaline
    D00688  Terbutaline sulfate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2252  Isoprenalines
     D00688  Terbutaline sulfate (JP18/USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01046  Terbutaline
      D00688  Terbutaline sulfate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D00688  Terbutaline sulfate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00688  Terbutaline sulfate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01046  Terbutaline
Other DBs
CAS: 23031-32-5
PubChem: 7847754
ChEBI: 9450
LigandBox: D00688
NIKKAJI: J321.168A
KCF data

ATOM        37
            1   C8y C    21.3597  -18.5637
            2   C1c C    22.5457  -19.2614
            3   C8x C    21.3597  -17.1684
            4   C8x C    20.1737  -19.2614
            5   C1b C    23.8015  -18.5637
            6   O1a O    22.5455  -20.6567
            7   C8y C    20.1737  -16.4707
            8   C8y C    18.9179  -18.5637
            9   N1b N    24.9875  -19.2614
            10  C8x C    18.9179  -17.1684
            11  O1a O    20.1737  -15.0754
            12  O1a O    17.7319  -19.2614
            13  C1d C    26.1735  -18.5637
            14  C1a C    27.4293  -19.2614
            15  C1a C    27.4293  -17.8661
            16  C1a C    26.1738  -17.1684
            17  S4a S    32.1734  -17.8661
            18  O1d O    30.7781  -17.8661
            19  O1d O    33.5687  -17.8661
            20  O1d O    32.1734  -16.4707
            21  O1d O    32.1734  -19.2614
            22  C8y C    21.3597  -18.5637
            23  C1c C    22.5457  -19.2614
            24  C1b C    23.8015  -18.5637
            25  N1b N    24.9875  -19.2614
            26  C1d C    26.1735  -18.5637
            27  C1a C    27.4293  -19.2614
            28  C1a C    27.4293  -17.8661
            29  C1a C    26.1738  -17.1684
            30  O1a O    22.5455  -20.6567
            31  C8x C    21.3597  -17.1684
            32  C8y C    20.1737  -16.4707
            33  C8x C    18.9179  -17.1684
            34  C8y C    18.9179  -18.5637
            35  C8x C    20.1737  -19.2614
            36  O1a O    17.7319  -19.2614
            37  O1a O    20.1737  -15.0754
BOND        36
            1    17  18 1
            2    17  19 1
            3    17  20 2
            4    17  21 2
            5     1   2 1
            6     1   3 2
            7     1   4 1
            8     2   5 1
            9     2   6 1
            10    3   7 1
            11    4   8 2
            12    5   9 1
            13    7  10 2
            14    7  11 1
            15    8  12 1
            16    9  13 1
            17   13  14 1
            18   13  15 1
            19   13  16 1
            20    8  10 1
            21   22  23 1
            22   22  31 2
            23   22  35 1
            24   23  24 1
            25   23  30 1
            26   31  32 1
            27   35  34 2
            28   24  25 1
            29   32  33 2
            30   32  37 1
            31   34  36 1
            32   25  26 1
            33   26  27 1
            34   26  28 1
            35   26  29 1
            36   34  33 1
BRACKET     1    16.6600  -21.6300   16.6600  -14.2100
            1    28.8400  -14.2100   28.8400  -21.6300
            1  2
 ORIGINAL  1    1   2   5   9  13  14  15  16   6   3   7  10   8   4  12  11
 REPEAT    1   22  23  24  25  26  27  28  29  30  31  32  33  34  35  36  37

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